Summary

IMPPAT Phytochemical identifier: IMPHY017236

Phytochemical name: 4,5-Dimethyldihydrofuran-2(3h)-one

Synonymous chemical names:
4,5-dimethyldihydro-2(3h)-furanone

External chemical identifiers:
CID:248934, SureChEMBL:SCHEMBL364043, MolPort-028-750-286

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Chemical structure information

SMILES:
O=C1OC(C(C1)C)C

InChI:
InChI=1S/C6H10O2/c1-4-3-6(7)8-5(4)2/h4-5H,3H2,1-2H3

InChIKey:
PXIPZIPSDBXFQR-UHFFFAOYSA-N

DeepSMILES:
O=COCCC5)C))C

Functional groups:
COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 2.066

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Chemical structure download